Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKRKLGTSDLDISEVGLGCMSLGTEKNKALSILDEAIELGINYLDTADLYDRGRNEEIVGDAIQNRRHDIILATKAGNRWDDGSEGWYWDPSKAYIKEAVKKSLTRLKTDYIDLYQLHGGTIEDNIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYVKKSNIVSIMMQFSLFDRRPEEWLPLLEEHQISVVARGPVAKGLLTEKPLDQASESMKQNGYLSYSFEELTNARKAMEEVAPDLSMTEKSLQYLLAQPAVASVITGASKIEQLRENIQAANARRLTEEEIKALQSHTKQDIYKAHRS 1YNQ Chain:B ((21-316)) MKKRQLGTSDLHVSELGFGCMSLGTDETKARRIMDEVLELGINYLDTADLYNQGLNEQFVGKALKGRRQDIILATKVGNRFEQGKEGWWWDPSKAYIKEAVKDSLRRLQTDYIDLYQLHGGTIDDPIDETIEAFEELKQEGVIRYYGISSIRPNVIKEYLKRSNIVSIMMQYSILDRRPEEWFPLIQEHGVSVVVRGPVARGLLSRRPLPEG------EGYLNYRYDELKLLR---ESLPTDRPLHELALQYCLAHDVVATVAAGASSIDQVKANVQAVEATPLTAEERQHIQKLAKAAVYEQHR-

General information: TITO was launched using: RESULT: Template: 1YNQ.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1645 -158085 -96.10 -534.07 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.91 3D Compatibility (PKB) : -96.10 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.91 QMean score : 0.558

(partial model without unconserved sides chains): PDB file : Tito_1YNQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YNQ-query.scw PDB file : Tito_Scwrl_1YNQ.pdb: